中国计量大学学报2023，Vol.34Issue(4)：599-607,9.DOI:10.3969/j.issn.2096-2835.2023.04.015
Mn4+掺杂La2MgGeO6长余辉发光的第一性原理研究
First principles study on the persistent luminescence of Mn4+-doped La2 MgGeO6
摘要
Abstract
Aims:This paper aims to elucidate the properties and the principle of the persistent luminescence(PersL)phenomenon of Mn4+-doped LaMgGeO6 at the microscopic level specifically.Methods:By applying first-principles calculations,we systematically investigated the electronic properties of La2MgGeO6 and the thermodynamic properties of La2MgGeO6∶Mn4+and intrinsic defects to obtain the depth of the trap center(the position of the defect energy level in the band gap).Results:Vacancy defect VO acted as an electron trap in the material with an energy level depth of 0.69 eV.Anti-position defect MgGe and vacancy defect VGe acted as hole traps in the material with energy level depths of 0.74 eV and 0.78 eV,respectively.Conclusions:Mn4+participates in the effective luminescence of the material as a luminescence center.Internal electron trap Vo and hole traps VGe and MgGe participate in the persistent luminescence of the material.关键词
第一性原理计算/长余辉/掺杂/陷阱中心Key words
first-principles method/persistent luminescence/dope/trap center分类
通用工业技术引用本文复制引用
国金萌,朱华,张奇浩,沈洋,邓德刚..Mn4+掺杂La2MgGeO6长余辉发光的第一性原理研究[J].中国计量大学学报,2023,34(4):599-607,9.基金项目
浙江省自然科学基金探索项目(No.LQ21F050011) （No.LQ21F050011）
